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CHEBI:157707 - (-)-bornyl ferulate

ChEBI IDCHEBI:157707
ChEBI Name(-)-bornyl ferulate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H26O4
Net Charge0
Average Mass330.424
Monoisotopic Mass330.18311
SMILESCOc1cc(/C=C/C(=O)OC2CC3CCC2(C)C3(C)C)ccc1O
InChIInChI=1S/C20H26O4/c1-19(2)14-9-10-20(19,3)17(12-14)24-18(22)8-6-13-5-7-15(21)16(11-13)23-4/h5-8,11,14,17,21H,9-10,12H2,1-4H3/b8-6+
InChIKeyPKAIECBWQZFYRP-SOFGYWHQSA-N
Species of MetaboliteComponentSourceComments
Piper methysticum (ncbitaxon:130404)
lateral root (BTO:0005441) MetaboLights (MTBLS1485) Strain: Piper methysticum cv. Loa Kasa Leka
crown root (PO:0000043) MetaboLights (MTBLS1485) Strain: Piper methysticum cv. Loa Kasa Leka
stem (BTO:0001300) MetaboLights (MTBLS1485) Strain: Piper methysticum cv. Loa Kasa Leka
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(-)-bornyl ferulate (CHEBI:157707) is a hydroxycinnamic acid (CHEBI:24689)
IUPAC Name 
(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Manual XrefsDatabases
4474779ChemSpider